SCHEMBL4881609

SCHEMBL4881609

COc1cccc(C2(C#N)CCN(c3ncccn3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 6/20 0.50
GAA P10253 1/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPY1R P25929 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5473743 0.89 KMT2A (0.63) KMT2AMAPTNPC1ALDH1A1HPGD
SCHEMBL5473710 0.87 KMT2A (0.56) KMT2AMAPTNPC1ALDH1A1HPGD
SCHEMBL4868290 0.85 KMT2A (0.62) KMT2AMAPTNPC1ALDH1A1DRD2
SCHEMBL5471084 0.84 KMT2A (0.67) KMT2AMAPTNPC1ALDH1A1TSHR
SCHEMBL4876711 0.82 KMT2A (0.72) KMT2AMAPTNPC1ALDH1A1NPY1R
SCHEMBL11814914 0.82 KMT2A (1.00) KMT2AOPRM1
SCHEMBL5473494 0.81 KMT2A (0.63) KMT2AMAPTNPC1ALDH1A1KDM4E
SCHEMBL1007128 0.81 KMT2A (0.78) KMT2AALDH1A1OPRM1OPRD1
SCHEMBL4870875 0.81 MAPT (0.60) KMT2AMAPTNPC1ALDH1A1HPGD
SCHEMBL5466219 0.81 CYP3A4 (0.49) KMT2AALDH1A1HPGDKDM4EDRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885MAPT 4852/4885NPC1 239/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885MAPT 4793/4885NPC1 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.